SCHEMBL2923784

SCHEMBL2923784

C/C=C(\Cl)COc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.59
LMNA P02545 4/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
ALDH1A1 P00352 3/20 0.59
RAB9A P51151 2/20 0.55
HPGD P15428 4/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
PTGDR2 Q9Y5Y4 1/20 0.47
PDE7A Q13946 1/20 0.47
MEN1 O00255 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2921755 0.85 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2921752 0.85 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL2921757 0.85 MAPT (0.53) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3753335 0.84 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3753337 0.84 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
Hydrochloric Acid SCHEMBL3753334 0.84 MAPT (0.52) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL9722709 0.84 MAPT (0.63) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL17538570 0.83 MAPT (0.65) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL27542697 0.81 PTGDR2 (0.64) MAPTLMNASMN1; SMN2ALDH1A1RAB9A
SCHEMBL7778630 0.81 MAPT (0.66) MAPTLMNASMN1; SMN2ALDH1A1RAB9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2222160-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR Pharmaxis Ltd. (AU) 2010-09-01 EP disclosed
WO-2009066152-A2 HALOALLYLAMINE INHIBITORS OF SSAO/VAP-1 AND USES THEREFOR PHARMAXIS LTD. (US) 2009-05-28 WO disclosed